(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine

C23H45N5 — CID 166981128

IUPAC(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
SMILESCCC(C)CC1(CC)CCN(CC2CCN(/C(N)=C/C=C(\N)CN)CC2)CC1
InChIInChI=1S/C23H45N5/c1-4-19(3)16-23(5-2)10-14-27(15-11-23)18-20-8-12-28(13-9-20)22(26)7-6-21(25)17-24/h6-7,19-20H,4-5,8-18,24-26H2,1-3H3/b21-6-,22-7+
InChIKeyVXGGKXFTBHAIOK-GWIMWDMDSA-N
MW391.65 g/mol
LogP3.23
Rot. Bonds9

About (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine

(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine (PubChem CID 166981128) has the molecular formula C23H45N5 and a molecular weight of 391.65 g/mol. Its IUPAC name is (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine.

Molecular Properties

Compound Name(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
PubChem CID166981128
Molecular FormulaC23H45N5
Molecular Weight391.65 g/mol
Exact Mass391.37
IUPAC Name(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
SMILESCCC(C)CC1(CC)CCN(CC2CCN(/C(N)=C/C=C(\N)CN)CC2)CC1
InChIInChI=1S/C23H45N5/c1-4-19(3)16-23(5-2)10-14-27(15-11-23)18-20-8-12-28(13-9-20)22(26)7-6-21(25)17-24/h6-7,19-20H,4-5,8-18,24-26H2,1-3H3/b21-6-,22-7+
InChIKeyVXGGKXFTBHAIOK-GWIMWDMDSA-N
XLogP3.23
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.65
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine;ethane
CID 142517086
4-ethyl-2-(1-methyl-2H-pyridin-5-yl)-2,9-diazaspiro[5.5]undecane
CID 144441785
(2Z,4E)-1-cyclopropylidene-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine
CID 166981029
(1E,3Z,5E)-1-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]hepta-1,3,5-triene-1,4-diamine
CID 173997846
(1E,3Z)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]penta-1,3-diene-1,1,4-triamine
CID 142517087
(1E,3Z)-1-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 176985938

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?
The IUPAC name of (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine (CID 166981128) is (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine.
What is the SMILES notation for (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?
The canonical SMILES for (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine is CCC(C)CC1(CC)CCN(CC2CCN(/C(N)=C/C=C(\N)CN)CC2)CC1.
What is the InChIKey of (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?
The InChIKey is VXGGKXFTBHAIOK-GWIMWDMDSA-N. The full InChI is InChI=1S/C23H45N5/c1-4-19(3)16-23(5-2)10-14-27(15-11-23)18-20-8-12-28(13-9-20)22(26)7-6-21(25)17-24/h6-7,19-20H,4-5,8-18,24-26H2,1-3H3/b21-6-,22-7+.
What are the key properties of (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine?
(2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine has a molecular weight of 391.65 g/mol, XLogP of 3.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[4-[[4-ethyl-4-(2-methylbutyl)piperidin-1-yl]methyl]piperidin-1-yl]penta-2,4-diene-1,2,5-triamine is sourced from PubChem (CID 166981128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).